SCHEMBL8440266

SCHEMBL8440266

CC(C(=O)O)N1C(=O)CC1SCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.46
SLC1A2 P43004 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8551020 0.87 ACE (0.43) ACESLC1A2SMN1; SMN2ALDH1A1
SCHEMBL8552407 0.85 SLC1A2 (0.58) ACESLC1A2SMN1; SMN2ALDH1A1
SCHEMBL8551199 0.84 ALDH1A1 (0.43) ACEALDH1A1PKM
SCHEMBL8554773 0.82 ALDH1A1 (0.54) ACESMN1; SMN2ALDH1A1PKM
SCHEMBL8620238 0.82 ATM (0.43) ACESMN1; SMN2ALDH1A1
SCHEMBL8552221 0.82 MDM2 (0.44) ACEALDH1A1PKM
SCHEMBL8596008 0.79 SNCA (0.37) ALDH1A1
SCHEMBL8812094 0.78 ALDH1A1 (0.40) ACESMN1; SMN2ALDH1A1PKM
SCHEMBL8557349 0.77 L3MBTL1 (0.40) ACEALDH1A1
SCHEMBL8552490 0.77 ALDH1A1 (0.42) ACEALDH1A1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed